HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12170",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12168",
"results": [
{
"id": "mp-10659",
"created_at": "2022-09-04T14:46:11.513042Z",
"structure_string": "Ho3\n1.0\n8.617653 -1.772517 0.000000\n8.617653 1.772517 0.000000\n8.253073 0.000000 3.048366\nHo\n3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.777941 0.777941 0.777941 Ho\n0.222059 0.222059 0.222059 Ho\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.822554243159384,
"density_atomic": 0.03221400621389803,
"volume": 93.12719380757169,
"volume_molar": 18.694168989766567,
"formula_full": "Ho3",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -13.74722661,
"energy_per_atom": -4.58240887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.74722661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.139000Z",
"spacegroup": 166
},
{
"id": "mp-973986",
"created_at": "2022-09-04T14:44:55.030549Z",
"structure_string": "Ho4\n1.0\n1.770124 -3.065945 0.000000\n1.770124 3.065945 0.000000\n0.000000 0.000000 11.426988\nHo\n4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Ho\n0.000000 0.000000 0.500000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.832421234737389,
"density_atomic": 0.032250033799475386,
"volume": 124.03087776190388,
"volume_molar": 18.673285111713472,
"formula_full": "Ho4",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -18.30788468,
"energy_per_atom": -4.57697117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30788468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.283000Z",
"spacegroup": 194
},
{
"id": "mp-144",
"created_at": "2022-09-04T14:48:07.447660Z",
"structure_string": "Ho2\n1.0\n1.804377 -3.125272 0.000000\n1.804377 3.125272 0.000000\n0.000000 0.000000 5.577528\nHo\n2\ndirect\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.70748502529581,
"density_atomic": 0.03179385118882015,
"volume": 62.90524504635258,
"volume_molar": 18.9412120105714,
"formula_full": "Ho2",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -9.14413054,
"energy_per_atom": -4.57206527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.14413054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4864125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.502000Z",
"spacegroup": 194
},
{
"id": "mp-1184569",
"created_at": "2022-09-04T14:39:09.125394Z",
"structure_string": "Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.312732688986728,
"density_atomic": 0.030961028912106007,
"volume": 32.29866820120413,
"volume_molar": 19.450712626818724,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27885665,
"energy_per_atom": -0.27885665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27885665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.859000Z",
"spacegroup": 166
},
{
"id": "mp-611219",
"created_at": "2022-09-04T14:44:50.318943Z",
"structure_string": "Hg1\n1.0\n7.830023 -1.770053 0.000000\n7.830023 1.770053 0.000000\n7.429885 0.000000 3.039598\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 3.9533286686092426,
"density_atomic": 0.011868738083222304,
"volume": 84.25495558062774,
"volume_molar": 50.739520223408775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.21932567,
"energy_per_atom": -0.21932567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.21932567,
"band_gap": 1.7611,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.093000Z",
"spacegroup": 166
},
{
"id": "mp-982872",
"created_at": "2022-09-04T14:41:09.697362Z",
"structure_string": "Hg1\n1.0\n2.185404 -2.285153 0.000000\n2.185404 2.285153 0.000000\n-0.204050 0.000000 3.155357\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.568974755876773,
"density_atomic": 0.031730322394322705,
"volume": 31.515595321493592,
"volume_molar": 18.979135116123185,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.28320923,
"energy_per_atom": -0.28320923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.28320923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.569000Z",
"spacegroup": 166
},
{
"id": "mp-1096992",
"created_at": "2022-09-04T14:41:02.796536Z",
"structure_string": "Hg4\n1.0\n-3.227143 3.227143 3.344697\n3.227143 -3.227143 3.344697\n3.227143 3.227143 -3.344697\nHg\n4\ndirect\n0.875000 0.329267 0.954267 Hg\n0.375000 0.920733 0.045733 Hg\n0.670733 0.625000 0.545733 Hg\n0.079267 0.125000 0.454267 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 9.562361874033742,
"density_atomic": 0.02870825525868141,
"volume": 139.33274467421336,
"volume_molar": 20.97703502263133,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.10181619,
"energy_per_atom": -0.2754540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.10181619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.390000Z",
"spacegroup": 122
},
{
"id": "mp-121",
"created_at": "2022-09-04T14:43:08.297363Z",
"structure_string": "Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.755694544915189,
"density_atomic": 0.035293108981259515,
"volume": 28.334143090964176,
"volume_molar": 17.063219800776775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27636913,
"energy_per_atom": -0.27636913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27636913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.748000Z",
"spacegroup": 166
},
{
"id": "mp-1181096",
"created_at": "2022-09-04T14:43:21.985509Z",
"structure_string": "Hg1\n1.0\n1.997977 1.861273 3.254945\n-1.479926 2.172191 2.451138\n-1.544498 -3.043489 -0.084433\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.142603741628614,
"density_atomic": 0.03045026543003051,
"volume": 32.84043622863744,
"volume_molar": 19.77697295886582,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.2910383,
"energy_per_atom": -0.2910383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.2910383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.58e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.670000Z",
"spacegroup": 69
},
{
"id": "mp-1184657",
"created_at": "2022-09-04T14:42:53.907978Z",
"structure_string": "Hg8\n1.0\n6.304307 0.000000 0.000000\n0.000000 6.304307 0.000000\n0.000000 0.000000 6.304307\nHg\n8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.750000 0.000000 Hg\n0.000000 0.500000 0.250000 Hg\n0.250000 0.000000 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.750000 Hg\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.634970792149755,
"density_atomic": 0.031928456608478595,
"volume": 250.560185169602,
"volume_molar": 18.861358799287597,
"formula_full": "Hg8",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -2.38875985,
"energy_per_atom": -0.29859498125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.38875985,
"band_gap": 0.5904,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.511000Z",
"spacegroup": 223
},
{
"id": "mp-1184687",
"created_at": "2022-09-04T14:44:08.314888Z",
"structure_string": "Hg2\n1.0\n0.000000 2.970073 6.035906\n1.839716 0.000000 6.035906\n1.839716 2.970073 0.000000\nHg\n2\ndirect\n0.365981 0.365981 0.634019 Hg\n0.634019 0.634019 0.365981 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.099456407188216,
"density_atomic": 0.03032072790497509,
"volume": 65.96147712112926,
"volume_molar": 19.861464998048,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.56896506,
"energy_per_atom": -0.28448253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.56896506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.079000Z",
"spacegroup": 69
},
{
"id": "mp-1077098",
"created_at": "2022-09-04T14:43:41.639420Z",
"structure_string": "Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 8.858264989926415,
"density_atomic": 0.026594405841344038,
"volume": 225.6113573581823,
"volume_molar": 22.644389184427254,
"formula_full": "Hg6",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.71442074,
"energy_per_atom": -0.28573679,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.71442074,
"band_gap": 1.0394,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.064000Z",
"spacegroup": 14
}
]
}